CID 5277408

Carbamic acid, [1,2-dihydro-3-[[(4-methoxyphenyl)methylamino]methyl]pyrido[3,4-b]pyrazin-7-yl]-, ethyl ester

Structural Information

Molecular Formula
C19H23N5O3
SMILES
CCOC(=O)NC1=NC=C2C(=C1)NCC(=N2)CN(C)C3=CC=C(C=C3)OC
InChI
InChI=1S/C19H23N5O3/c1-4-27-19(25)23-18-9-16-17(11-21-18)22-13(10-20-16)12-24(2)14-5-7-15(26-3)8-6-14/h5-9,11,20H,4,10,12H2,1-3H3,(H,21,23,25)
InChIKey
XGFBZJIMEODPLX-UHFFFAOYSA-N
Compound name
ethyl N-[3-[(4-methoxy-N-methylanilino)methyl]-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.18008 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.18736 187.9
[M+Na]+ 392.16930 192.9
[M-H]- 368.17280 191.0
[M+NH4]+ 387.21390 196.0
[M+K]+ 408.14324 189.1
[M+H-H2O]+ 352.17734 176.5
[M+HCOO]- 414.17828 205.6
[M+CH3COO]- 428.19393 222.6
[M+Na-2H]- 390.15475 192.7
[M]+ 369.17953 189.4
[M]- 369.18063 189.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.